2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide

C18H19ClFNO2 — CID 90498490

IUPAC2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNO2/c1-18(23,11-10-13-6-3-2-4-7-13)12-21-17(22)16-14(19)8-5-9-15(16)20/h2-9,23H,10-12H2,1H3,(H,21,22)
InChIKeyDCENXHYRFFEZJK-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.59
Rot. Bonds6

About 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide

2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide (PubChem CID 90498490) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
PubChem CID90498490
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNO2/c1-18(23,11-10-13-6-3-2-4-7-13)12-21-17(22)16-14(19)8-5-9-15(16)20/h2-9,23H,10-12H2,1H3,(H,21,22)
InChIKeyDCENXHYRFFEZJK-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide (CID 90498490) is 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide is CC(O)(CCc1ccccc1)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
The InChIKey is DCENXHYRFFEZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-18(23,11-10-13-6-3-2-4-7-13)12-21-17(22)16-14(19)8-5-9-15(16)20/h2-9,23H,10-12H2,1H3,(H,21,22).
What are the key properties of 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide?
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide has a molecular weight of 335.81 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide is sourced from PubChem (CID 90498490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).